>compound 1-O-b-D-glucopyranosyl sinapate_1-O-b-D-glucopyranosyl sinapate
#instrument UPLC Q-Tof Premier, Waters
>formula C17H22O10
#smiles OCC(O1)C(O)C(O)C(O)C(OC(=O)C=Cc(c2)cc(OC)c(O)c(OC)2)1
#RECORD LC-ESI-QTOF_train_data/PR101004.txt;LC-ESI-QTOF_train_data/PR101056.txt
>charge -1
>ionization [M-H]-
>parentmass 385.11347

>collision 5-60
71.0151 165.8
91.0194 190.5
119.0138 443.4
147.0079 265.8
149.0241 205.4
164.0474 239.9
175.003 984.1
190.0263 2058.0
205.0494 2948.0
223.0609 642.1
247.0612 265.8
385.1135 953.4

>collision 5-60
69.0267 30.51
77.0306 37.41
79.0463 30.29
91.0425 74.52
93.059 74.23
103.0411 27.56
105.0568 1119.0
119.0342 83.1
121.0496 145.8
129.035 23.28
147.0306 44.35
175.0164 87.53
207.0389 201.4
225.0459 88.21
387.1291 52.61

